3-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C16H13BrFN3S MolecularWeight: 378.261923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13BrFN3S/c1-21-15(12-5-7-14(18)8-6-12)19-20-16(21)22-10-11-3-2-4-13(17)9-11/h2-9H,10H2,1H3